If VASP has such function, how can we use it?
<span class='smallblacktext'>[ Edited ]</span>
Does VASP have the function of the virtual crystal approximation (VCA)?
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tfl
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Does VASP have the function of the virtual crystal approximation (VCA)?
Last edited by tfl on Thu Aug 04, 2011 4:21 pm, edited 1 time in total.
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admin
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Does VASP have the function of the virtual crystal approximation (VCA)?
the VCA is not supported by vasp (yet) at the moment
Last edited by admin on Wed Aug 31, 2011 4:39 pm, edited 1 time in total.
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oja
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Does VASP have the function of the virtual crystal approximation (VCA)?
Quite interesting, then, that the VASP 5.2.11 OUTCAR file contains settings for VCA ionic weights.
They are set at 1.00 of course, for all the atoms involved, but that would indicate there is support for VCA in 5.2.11. However, there is no documentation on how to e.g. input such atoms in POSCAR.
They are set at 1.00 of course, for all the atoms involved, but that would indicate there is support for VCA in 5.2.11. However, there is no documentation on how to e.g. input such atoms in POSCAR.
Last edited by oja on Fri Feb 10, 2012 4:24 pm, edited 1 time in total.